SCHEMBL5812919

SCHEMBL5812919

CN1CCC(O)(c2nc(-c3ccccc3F)c(-c3ccnc(NC4CCCC4)n3)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
CDK1 P06493 6/20 0.41
CCNB1 P14635 6/20 0.41
CDK4 P11802 5/20 0.41
CCND1 P24385 5/20 0.41
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CCNT1 O60563 2/20 0.41
CCND3 P30281 2/20 0.41
CDK7 P50613 2/20 0.41
CDK9 P50750 2/20 0.41
CCNH P51946 2/20 0.41
CDK6 Q00534 2/20 0.41
CCNB2 O95067 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
RET P07949 1/20 0.40
IKBKB O14920 1/20 0.39
CCNA1 P78396 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5818839 0.99 MAPK9 (0.42) MAPK9HRH4CDK1CCNB1CDK4
SCHEMBL5819362 0.97 IKBKB (0.41) MAPK9HRH4CDK1CCNB1CDK4
SCHEMBL5816357 0.88 RET (0.39) MAPK9CDK1CCNB1CDK4CCND1
SCHEMBL5819462 0.87 CDK1 (0.40) MAPK9CDK1CCNB1CDK4CCND1
SCHEMBL5818943 0.86 KCNH2 (0.46) IKBKB
SCHEMBL5819146 0.86 DYRK2 (0.39) MAPK9CDK1CCNB1CDK4CCND1
SCHEMBL5812749 0.86 DYRK2 (0.39) CDK1CCNB1CDK4CCND1CCNA2
SCHEMBL5818443 0.86 KCNH2 (0.45) IKBKB
SCHEMBL5818779 0.85 MAPK9 (0.48) MAPK9HRH4CDK1CCNB1CDK4
SCHEMBL5819379 0.85 MAPK9 (0.48) MAPK9HRH4CDK1CCNB1CDK4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed